4-iodo-2,6-dimethylcyclohexan-1-amine

C8H16IN — CID 171580818

IUPAC4-iodo-2,6-dimethylcyclohexan-1-amine
SMILESCC1CC(I)CC(C)C1N
InChIInChI=1S/C8H16IN/c1-5-3-7(9)4-6(2)8(5)10/h5-8H,3-4,10H2,1-2H3
InChIKeySKSSKDIDYAHSHF-UHFFFAOYSA-N
MW253.13 g/mol
LogP2.18
Rot. Bonds

About 4-iodo-2,6-dimethylcyclohexan-1-amine

4-iodo-2,6-dimethylcyclohexan-1-amine (PubChem CID 171580818) has the molecular formula C8H16IN and a molecular weight of 253.13 g/mol. Its IUPAC name is 4-iodo-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-iodo-2,6-dimethylcyclohexan-1-amine
PubChem CID171580818
Molecular FormulaC8H16IN
Molecular Weight253.13 g/mol
Exact Mass253.03
IUPAC Name4-iodo-2,6-dimethylcyclohexan-1-amine
SMILESCC1CC(I)CC(C)C1N
InChIInChI=1S/C8H16IN/c1-5-3-7(9)4-6(2)8(5)10/h5-8H,3-4,10H2,1-2H3
InChIKeySKSSKDIDYAHSHF-UHFFFAOYSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of 4-iodo-2,6-dimethylcyclohexan-1-amine (CID 171580818) is 4-iodo-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4-iodo-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for 4-iodo-2,6-dimethylcyclohexan-1-amine is CC1CC(I)CC(C)C1N.
What is the InChIKey of 4-iodo-2,6-dimethylcyclohexan-1-amine?
The InChIKey is SKSSKDIDYAHSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16IN/c1-5-3-7(9)4-6(2)8(5)10/h5-8H,3-4,10H2,1-2H3.
What are the key properties of 4-iodo-2,6-dimethylcyclohexan-1-amine?
4-iodo-2,6-dimethylcyclohexan-1-amine has a molecular weight of 253.13 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 171580818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).